N-(3-fluoranyl-4-methoxy-phenyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazine-1-carboxamide

Systemtic Name: N-(3-fluoranyl-4-methoxy-phenyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazine-1-carboxamide Openeye Name: 4-[(2-allyloxyphenyl)methyl]-N-(3-fluoro-4-methoxy-phenyl)piperazine-1-carboxamide CAS Name: N-(3-fluoro-4-methoxyphenyl)-4-[(2-prop-2-enoxyphenyl)methyl]-1-piperazinecarboxamide IUPAC Name: N-(3-fluoro-4-methoxyphenyl)-4-[(2-prop-2-enoxyphenyl)methyl]piperazine-1-carboxamide Traditional Name: 4-(2-allyloxybenzyl)-N-(3-fluoro-4-methoxy-phenyl)piperazine-1-carboxamide Formula: C22H26FN3O3 MolecularWeight: 399.458543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)CC3=CC=CC=C3OCC=C)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)CC3=CC=CC=C3OCC=C)F

InChI

InChI=1S/C22H26FN3O3/c1-3-14-29-20-7-5-4-6-17(20)16-25-10-12-26(13-11-25)22(27)24-18-8-9-21(28-2)19(23)15-18/h3-9,15H,1,10-14,16H2,2H3,(H,24,27)